Ethyl 2-methyl-4-oxocyclopent-2-ene-1-carboxylate - ≥97% , CAS No.70157-02-7

CAS: 70157-02-7 Cat. No.: E634399 Molecular Weight: 168.19 PubChem CID: 12454216

GRADE & PURITY ≥97%

Synonyms

ethyl 2-methyl-5-oxo-cyclopentene-1-carboxylate | 70157-02-7 | F89508

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

Synonyms

ethyl 2-methyl-5-oxo-cyclopentene-1-carboxylate | 70157-02-7 | F89508

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Protected from light

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CCOC(=O)C1=C(CCC1=O)C
• IUPAC Name: ethyl 2-methyl-5-oxocyclopentene-1-carboxylate
• InChIKey: ZUZYPDPTBNVQMM-UHFFFAOYSA-N
• INCHI: 1S/C9H12O3/c1-3-12-9(11)8-6(2)4-5-7(8)10/h3-5H2,1-2H3
• Isomeric SMILES: CCOC(=O)C1=C(CCC1=O)C
• PubChem CID: 12454216
• Molecular Weight: 168.19

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives
        • Level5 Carboxylic acid esters
          • Level6 Alpha,beta-unsaturated carboxylic esters
            • Level7 Enoate esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Carboxylic acid esters - Alpha,beta-unsaturated carboxylic esters
• Direct Parent: Enoate esters
• Alternative Parents: Cyclic ketones Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Enoate ester - Cyclic ketone - Ketone - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as enoate esters. These are an alpha,beta-unsaturated carboxylic ester of general formula R1C(R2)=C(R3)C(=O)OR4 (R4= organyl compound) in which the ester C=O function is conjugated to a C=C double bond at the alpha,beta position.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Sensitivity: Light sensitive